azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone

C16H21N5O2 — CID 71830515

IUPACazepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
SMILESCn1nnnc1COc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H21N5O2/c1-20-15(17-18-19-20)12-23-14-8-6-13(7-9-14)16(22)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3
InChIKeyFCGOPCCLEFEGHM-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.81
Rot. Bonds4

About azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone

azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone (PubChem CID 71830515) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
PubChem CID71830515
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Nameazepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
SMILESCn1nnnc1COc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H21N5O2/c1-20-15(17-18-19-20)12-23-14-8-6-13(7-9-14)16(22)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3
InChIKeyFCGOPCCLEFEGHM-UHFFFAOYSA-N
XLogP1.81
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 71830536
(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830519
[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 71688433
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 91945606
ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
CID 91945458
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32970583
[4-(azepane-1-carbonyl)phenyl] propanoate
CID 2994774

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
The IUPAC name of azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone (CID 71830515) is azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone is Cn1nnnc1COc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
The InChIKey is FCGOPCCLEFEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-15(17-18-19-20)12-23-14-8-6-13(7-9-14)16(22)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3.
What are the key properties of azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 71830515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).